2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C10H15N5OS — CID 105107127

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ncnn1C
InChIInChI=1S/C10H15N5OS/c1-6(2)9-10(17-14-13-9)7(16)4-8-11-5-12-15(8)3/h5-7,16H,4H2,1-3H3
InChIKeyUJNMXIVAYHPBQR-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.07
Rot. Bonds4

About 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105107127) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105107127
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ncnn1C
InChIInChI=1S/C10H15N5OS/c1-6(2)9-10(17-14-13-9)7(16)4-8-11-5-12-15(8)3/h5-7,16H,4H2,1-3H3
InChIKeyUJNMXIVAYHPBQR-UHFFFAOYSA-N
XLogP1.07
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107145
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105125386
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105106544
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160454
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105161863
2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105121858
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086779
1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105107171
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105159397

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105107127) is 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1ncnn1C.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is UJNMXIVAYHPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-6(2)9-10(17-14-13-9)7(16)4-8-11-5-12-15(8)3/h5-7,16H,4H2,1-3H3.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 253.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105107127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).